4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethyl-isoxazole Formula: C22H21BrN4OS MolecularWeight: 469.39734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4OS/c1-15-20(16(2)28-26-15)14-29-22-25-24-21(18-8-10-19(23)11-9-18)27(22)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3